Detailed information for compound 1901138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 491.663 | Formula: C27H45N3O5
  • H donors: 1 H acceptors: 2 LogP: 7.33 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@@H]2[C@H]1Oc1n2ccc(=N)n1
  • InChi: 1S/C27H45N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)34-24-21(20-31)33-26-25(24)35-27-29-22(28)18-19-30(26)27/h18-19,21,24-26,28,31H,2-17,20H2,1H3/t21-,24-,25+,26-/m1/s1
  • InChiKey: QZOQAMJDLIAKHT-ATPOPXNDSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans dehydrogenase 0.0281 0.0864 0.0039
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0281 0.0864 1
Loa Loa (eye worm) aspartyl protease 6 0.0098 0.0117 0.0415
Mycobacterium ulcerans monoamine oxidase 0.0281 0.0864 0.0039
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0281 0.0864 0.09
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Giardia lamblia Kinase, PLK 0.0412 0.1396 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0218 0.0605 0.2141
Echinococcus granulosus lysine specific histone demethylase 1A 0.0717 0.2635 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.0828 0.2934
Brugia malayi aspartic protease BmAsp-2, identical 0.0098 0.0117 0.0415
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2248 0.8856 1
Brugia malayi hypothetical protein 0.0281 0.0864 0.306
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Loa Loa (eye worm) hypothetical protein 0.0149 0.0325 0.115
Loa Loa (eye worm) hypothetical protein 0.0717 0.2635 0.9334
Plasmodium vivax hypothetical protein, conserved 0.0281 0.0864 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0281 0.0864 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0281 0.0864 0.0039
Schistosoma mansoni kinase 0.021 0.0572 0.0595
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Schistosoma mansoni glutaminase 0.0273 0.0828 0.0863
Echinococcus granulosus lysine specific histone demethylase 1A 0.0281 0.0864 0.3278
Loa Loa (eye worm) hypothetical protein 0.0281 0.0864 0.306
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Brugia malayi aspartic protease BmAsp-1, identical 0.0098 0.0117 0.0415
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0412 0.1396 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0412 0.1396 0.4726
Brugia malayi Eukaryotic aspartyl protease family protein 0.0098 0.0117 0.0415
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0412 0.1396 0.5297
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0764 0.2824 1
Mycobacterium ulcerans oxidoreductase 0.0281 0.0864 0.0039
Entamoeba histolytica serine/threonine protein kinase, putative 0.0412 0.1396 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0281 0.0864 0.5
Loa Loa (eye worm) hypothetical protein 0.0328 0.1052 0.3726
Toxoplasma gondii histone lysine-specific demethylase 0.0281 0.0864 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0605 0.2141
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Echinococcus multilocularis protoporphyrinogen oxidase 0.0281 0.0864 0.3278
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0098 0.0117 0.0444
Brugia malayi hypothetical protein 0.0098 0.0117 0.0415
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0717 0.2635 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Echinococcus multilocularis 0.0281 0.0864 0.3278
Loa Loa (eye worm) hypothetical protein 0.0281 0.0864 0.306
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0412 0.1396 0.5297
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0098 0.0117 0.0415
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0717 0.2635 0.2744
Trichomonas vaginalis glutaminase, putative 0.0273 0.0828 0.5561
Brugia malayi Pepsin A precursor 0.0098 0.0117 0.0415
Schistosoma mansoni amine oxidase 0.0281 0.0864 0.09
Brugia malayi serine/threonine-protein kinase plk-2 0.0412 0.1396 0.4944
Chlamydia trachomatis protoporphyrinogen oxidase 0.0281 0.0864 0.5
Loa Loa (eye worm) glutaminase 0.0273 0.0828 0.2934
Trypanosoma brucei polo-like protein kinase 0.0412 0.1396 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0117 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Schistosoma mansoni serine/threonine protein kinase 0.0412 0.1396 0.1454
Loa Loa (eye worm) hypothetical protein 0.0717 0.2635 0.9334
Brugia malayi latrophilin 2 splice variant baaae 0.0149 0.0325 0.115
Brugia malayi SWIRM domain containing protein 0.0764 0.2824 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0412 0.1396 0.4944
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0098 0.0117 0.0415
Onchocerca volvulus 0.0764 0.2824 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0117 0.0415
Brugia malayi Calcitonin receptor-like protein seb-1 0.0218 0.0605 0.2141
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0218 0.0605 0.2141
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Brugia malayi glutaminase DH11.1 0.0273 0.0828 0.2934
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0281 0.0864 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0281 0.0864 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0281 0.0864 1
Trichomonas vaginalis CAMK family protein kinase 0.0412 0.1396 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Schistosoma mansoni memapsin-2 (A01 family) 0.2432 0.9604 1
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.055 0.3383
Schistosoma mansoni amine oxidase 0.0281 0.0864 0.09
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.055 0.3383
Brugia malayi amine oxidase, flavin-containing family protein 0.0328 0.1052 0.3726
Schistosoma mansoni hypothetical protein 0.0149 0.0325 0.0338
Brugia malayi hypothetical protein 0.0098 0.0117 0.0415
Trypanosoma cruzi polo-like protein kinase, putative 0.0412 0.1396 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0412 0.1396 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0281 0.0864 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0098 0.0117 0.0122
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0098 0.0117 0.0444
Plasmodium vivax hypothetical protein, conserved 0.0281 0.0864 1
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0117 0.0122
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2529 1 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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